2,3-dibromo-6,11,14,15,18,23-hexakis(dodecyloxy)trinaphtho[1,2,3,4-fgh:1',2',3',4'-pqr:1'',2'',3'',4''-za1b1]trinaphthylene | 1154754-94-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2,3-dibromo-6,11,14,15,18,23-hexakis(dodecyloxy)trinaphtho[1,2,3,4-fgh:1',2',3',4'-pqr:1'',2'',3'',4''-za1b1]trinaphthylene
• 英文别名: 4,5-Dibromo-11,19,25,26,32,45-hexadodecoxytridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-1(42),2,4,6,8(41),9(14),10,12,15(40),16(21),17,19,22(39),23,25,27,29(38),30(35),31,33,36,43(48),44,46-tetracosaene；4,5-dibromo-11,19,25,26,32,45-hexadodecoxytridecacyclo[34.6.6.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.030,35.037,42.043,48]octatetraconta-1(42),2,4,6,8(41),9(14),10,12,15(40),16(21),17,19,22(39),23,25,27,29(38),30(35),31,33,36,43(48),44,46-tetracosaene
• CAS: 1154754-94-5
• 化学式: C₁₂₀H₁₆₆Br₂O₆
• 分子量: 1864.44
• InChiKey: AGOBBHPZBPCDSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  48.1
• 重原子数：
  128
• 可旋转键数：
  72
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6,13-bis{bis[4-(dodecyloxy)phenyl]methylene}-2,3-dibromo-9,10-bis(dodecyloxy)-6,13-dihydropentacene 在 碘 、 methyloxirane 、 iron(III) chloride 作用下， 以 苯 、 硝基甲烷 、 二氯甲烷 为溶剂， 反应 18.5h， 以81%的产率得到2,3-dibromo-6,11,14,15,18,23-hexakis(dodecyloxy)trinaphtho[1,2,3,4-fgh:1',2',3',4'-pqr:1'',2'',3'',4''-za1b1]trinaphthylene
  参考文献：
  名称：

  Expeditious Synthesis of Contorted Hexabenzocoronenes

  摘要：

  Contorted hexabenzocoronenes (HBCs) have been synthesized in an expedited manner utilizing a double Barton-Kellogg olefination reaction and a subsequent Scholl cyclization. The scope of both transformations was investigated using a series of pentacene quinones and double olefin precursors. The utility,of these reactions to help create functionalized and oligomeric HBCs in a rapid manner is demonstrated.

  DOI：

  10.1021/ol9001834